3-[2-(3-fluorophenyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one

C18H12FN5O — CID 141272838

IUPAC3-[2-(3-fluorophenyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one
SMILESO=c1ccn(-c2ccncc2)nc1-c1ccnn1-c1cccc(F)c1
InChIInChI=1S/C18H12FN5O/c19-13-2-1-3-15(12-13)24-16(6-10-21-24)18-17(25)7-11-23(22-18)14-4-8-20-9-5-14/h1-12H
InChIKeyFFPNCXCYBKBKRJ-UHFFFAOYSA-N
MW333.33 g/mol
LogP2.62
Rot. Bonds3

About 3-[2-(3-fluorophenyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one

3-[2-(3-fluorophenyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one (PubChem CID 141272838) has the molecular formula C18H12FN5O and a molecular weight of 333.33 g/mol. Its IUPAC name is 3-[2-(3-fluorophenyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one.

Molecular Properties

Compound Name3-[2-(3-fluorophenyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one
PubChem CID141272838
Molecular FormulaC18H12FN5O
Molecular Weight333.33 g/mol
Exact Mass333.10
IUPAC Name3-[2-(3-fluorophenyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one
SMILESO=c1ccn(-c2ccncc2)nc1-c1ccnn1-c1cccc(F)c1
InChIInChI=1S/C18H12FN5O/c19-13-2-1-3-15(12-13)24-16(6-10-21-24)18-17(25)7-11-23(22-18)14-4-8-20-9-5-14/h1-12H
InChIKeyFFPNCXCYBKBKRJ-UHFFFAOYSA-N
XLogP2.62
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluorophenyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one?
The IUPAC name of 3-[2-(3-fluorophenyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one (CID 141272838) is 3-[2-(3-fluorophenyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one.
What is the SMILES notation for 3-[2-(3-fluorophenyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one?
The canonical SMILES for 3-[2-(3-fluorophenyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one is O=c1ccn(-c2ccncc2)nc1-c1ccnn1-c1cccc(F)c1.
What is the InChIKey of 3-[2-(3-fluorophenyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one?
The InChIKey is FFPNCXCYBKBKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN5O/c19-13-2-1-3-15(12-13)24-16(6-10-21-24)18-17(25)7-11-23(22-18)14-4-8-20-9-5-14/h1-12H.
What are the key properties of 3-[2-(3-fluorophenyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one?
3-[2-(3-fluorophenyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one has a molecular weight of 333.33 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluorophenyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one is sourced from PubChem (CID 141272838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).